SCHEMBL3727634

SCHEMBL3727634

[c]1oc2ccccc2c1-c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.55
RAB9A P51151 12/20 0.55
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 9/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
HSD17B10 Q99714 6/20 0.55
NPSR1 Q6W5P4 4/20 0.55
PKM P14618 4/20 0.55
TP53 P04637 3/20 0.55
ABCB11 O95342 1/20 0.55
FGFR1 P11362 2/20 0.49
FLT1 P17948 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 8/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6301542 0.74 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3685297 0.73 ADRA2A (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30561047 0.73 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30634854 0.73 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL172216 0.73 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8688464 0.72 FGFR1 (0.56) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
Water SCHEMBL9817804 0.71 NPC1 (0.95) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5324075 0.71 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3835162 0.70 RAB9A (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7140034 0.70

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9490437-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-11-08 US claimed
EP-0944582-B1 KETOBENZAMIDES AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP claimed
EP-0559891-B1 THIENODIAZEPINE COMPOUND AND ITS USE YOSHITOMI PHARMACEUTICAL (JP) 2000-01-12 EP claimed
US-5795893-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-08-18 US claimed
US-5599810-A ADMINISTERING IN TREATMENT OF BENIGN PROSTATIC HYPERTROPHY, PERIPHERAL VASCULAR DISEASE AND CONGESTIVE HEART FAILURE SMITHKLINE BEECHAM CORPORATION (US) 1997-02-04 US claimed
EP-0684949-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-06 EP claimed
EP-0684949-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-10-13 EP claimed
WO-1994019354-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-09-01 WO claimed
CN-117062455-A Organic light emitting device and electronic apparatus including the same 三星显示有限公司 2023-11-14 CN disclosed
CN-111740024-B organic light emitting device 三星显示有限公司 2023-08-25 CN disclosed
EP-2257171-B1 TETRAHYDRO-1H-PYRROLO-FUSED PYRIDONES MERCK SHARP & DOHME (US) 2016-02-10 EP disclosed
EP-2463283-B1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases PFIZER PROD INC (US) 2014-06-11 EP disclosed
US-20100197564-A1 DIARYL MORPHOLINES AS CB1 MODULATORS SCHERING CORPORATION 2010-08-05 US disclosed
WO-2008130616-A2 DIARYL MORPHOLINES AS CB1 MODULATORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed
EP-1628971-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP disclosed
US-20050107378-A1 Heterocyclic amines having central nervous system activity ROMERO ARTHUR G (US) 2005-05-19 US disclosed
WO-2004101555-A1 TRIAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-0944582-B1 KETOBENZAMIDES AS CALPAIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197564-A1 DIARYL MORPHOLINES AS CB1 MODULATORS CNR1, CNR2, GPR119 NPC1 292/4885RAB9A 2057/4885ALDH1A1 2136/4885
US-20050107378-A1 Heterocyclic amines having central nervous system activity CNR1, CNR2, NPY2R NPC1 1345/4885RAB9A 1129/4885ALDH1A1 3839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.